==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 09-SEP-10 3OSU . COMPND 2 MOLECULE: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS SUBSP. AUREUS MU . AUTHOR S.M.ANDERSON,Z.WAWRZAK,O.ONOPRIYENKO,A.EDWARDS,W.F.ANDERSON, . 485 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20452.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 359 74.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 68 14.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 28 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 188 38.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 2 0 0 2 0 0 4 3 1 0 2 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 6 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A X 0 0 178 0, 0.0 2,-0.7 0, 0.0 54,-0.4 0.000 360.0 360.0 360.0 121.2 -32.5 -29.6 26.2 2 2 A K - 0 0 103 52,-0.2 52,-0.1 28,-0.0 27,-0.0 -0.763 360.0-138.4 -86.5 115.8 -31.5 -26.4 24.3 3 3 A X - 0 0 50 -2,-0.7 26,-0.1 2,-0.2 25,-0.0 -0.214 14.7-122.1 -72.8 161.7 -29.4 -24.3 26.6 4 4 A T S S+ 0 0 133 24,-0.2 2,-0.3 1,-0.0 -1,-0.1 0.664 97.6 53.2 -74.1 -17.2 -29.7 -20.5 26.9 5 5 A K - 0 0 78 23,-0.5 25,-2.3 78,-0.0 2,-0.3 -0.924 68.5-163.8-127.1 148.3 -26.0 -20.2 25.9 6 6 A S E -a 30 0A 0 -2,-0.3 78,-2.1 23,-0.2 79,-1.7 -0.954 3.1-162.0-137.9 148.9 -24.0 -21.6 23.0 7 7 A A E -ab 31 85A 0 23,-3.2 25,-3.1 -2,-0.3 2,-0.4 -0.920 8.1-154.6-128.7 149.4 -20.4 -22.2 22.0 8 8 A L E -ab 32 86A 0 77,-2.2 79,-2.9 -2,-0.3 2,-0.5 -0.995 12.5-169.2-118.7 130.9 -18.5 -22.8 18.8 9 9 A V E > -ab 33 87A 0 23,-2.3 25,-2.4 -2,-0.4 3,-0.5 -0.984 12.9-143.6-120.0 125.9 -15.2 -24.7 19.0 10 10 A T T 3 S+ 0 0 3 77,-2.6 79,-0.3 -2,-0.5 25,-0.1 -0.625 82.2 13.0 -88.0 147.1 -12.9 -24.8 15.9 11 11 A G T 3 S+ 0 0 24 -2,-0.2 3,-0.5 78,-0.2 6,-0.4 0.912 82.5 148.9 58.4 47.2 -10.9 -28.0 15.1 12 12 A A < + 0 0 0 22,-2.4 23,-0.1 -3,-0.5 -1,-0.1 0.177 32.1 98.9-102.5 17.1 -13.0 -29.9 17.6 13 13 A S S S- 0 0 26 21,-0.3 2,-0.3 1,-0.1 -1,-0.2 0.693 93.7 -3.1 -81.2 -16.0 -13.0 -33.4 16.1 14 14 A R S >> S+ 0 0 152 -3,-0.5 4,-1.4 31,-0.0 3,-0.8 -0.972 103.8 9.0-160.3 175.9 -10.2 -34.7 18.4 15 15 A G H 3> S- 0 0 18 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 -0.114 119.9 -3.9 52.5-133.4 -7.7 -34.1 21.1 16 16 A I H 3> S+ 0 0 10 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.898 135.0 53.6 -61.2 -43.3 -7.8 -30.8 22.9 17 17 A G H <> S+ 0 0 0 -3,-0.8 4,-2.1 -6,-0.4 -1,-0.2 0.901 109.8 48.7 -60.2 -42.4 -10.6 -29.3 20.8 18 18 A R H X S+ 0 0 81 -4,-1.4 4,-2.4 -7,-0.2 -1,-0.2 0.910 110.9 48.8 -63.9 -43.7 -12.8 -32.3 21.5 19 19 A S H X S+ 0 0 15 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.896 110.4 52.2 -65.9 -37.7 -12.2 -32.2 25.2 20 20 A I H X S+ 0 0 1 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.926 109.7 48.6 -60.8 -47.0 -13.0 -28.5 25.3 21 21 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.934 113.0 47.8 -58.4 -46.8 -16.2 -29.1 23.4 22 22 A L H X S+ 0 0 24 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.879 111.9 49.9 -64.0 -37.0 -17.2 -31.9 25.9 23 23 A Q H X S+ 0 0 30 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.891 109.5 50.1 -70.2 -39.1 -16.3 -29.7 28.9 24 24 A L H <>S+ 0 0 0 -4,-2.6 5,-2.4 2,-0.2 -2,-0.2 0.891 109.2 53.3 -63.8 -38.5 -18.4 -26.8 27.6 25 25 A A H ><5S+ 0 0 2 -4,-2.1 3,-1.8 1,-0.2 -2,-0.2 0.926 106.7 51.5 -59.7 -45.7 -21.2 -29.2 27.1 26 26 A E H 3<5S+ 0 0 106 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.840 105.9 55.6 -61.4 -32.4 -20.9 -30.3 30.7 27 27 A E T 3<5S- 0 0 102 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.442 129.6 -97.3 -78.1 -2.0 -21.0 -26.7 31.8 28 28 A G T < 5S+ 0 0 15 -3,-1.8 -23,-0.5 1,-0.3 2,-0.5 0.705 76.4 137.9 94.7 23.0 -24.3 -26.3 29.9 29 29 A Y < - 0 0 28 -5,-2.4 -1,-0.3 -8,-0.1 -23,-0.2 -0.849 54.9-127.0 -98.3 131.5 -23.4 -24.9 26.6 30 30 A N E -a 6 0A 0 -25,-2.3 -23,-3.2 -2,-0.5 2,-0.5 -0.572 38.7-149.2 -57.0 139.0 -24.9 -26.0 23.3 31 31 A V E -ac 7 56A 0 24,-2.0 26,-0.8 -25,-0.2 2,-0.5 -0.967 17.8-156.4-129.1 122.4 -21.7 -26.7 21.3 32 32 A A E -ac 8 57A 0 -25,-3.1 -23,-2.3 -2,-0.5 2,-0.7 -0.813 18.3-146.8 -88.8 131.7 -21.1 -26.5 17.5 33 33 A V E -ac 9 58A 0 24,-2.8 26,-2.5 -2,-0.5 2,-0.3 -0.873 11.7-161.1-105.4 107.2 -18.2 -28.7 16.5 34 34 A N E + c 0 59A 2 -25,-2.4 -22,-2.4 -2,-0.7 -21,-0.3 -0.679 15.6 168.4 -88.2 143.5 -16.1 -27.4 13.6 35 35 A Y E - c 0 60A 20 24,-1.8 26,-2.2 -2,-0.3 4,-0.1 -0.951 28.0-156.1-145.8 162.2 -13.9 -29.6 11.5 36 36 A A S S- 0 0 69 -2,-0.3 -1,-0.1 24,-0.2 3,-0.1 0.810 83.8 -4.2-106.3 -51.3 -11.9 -29.3 8.2 37 37 A G S S+ 0 0 57 1,-0.2 2,-1.0 24,-0.1 3,-0.1 0.811 110.8 66.4-107.7 -74.5 -11.6 -32.9 7.0 38 38 A S > + 0 0 62 1,-0.2 4,-1.4 2,-0.1 -1,-0.2 -0.372 45.8 171.0 -70.3 98.7 -12.8 -35.8 9.0 39 39 A K H > S+ 0 0 109 -2,-1.0 4,-2.5 2,-0.2 5,-0.2 0.841 75.7 60.1 -71.1 -36.0 -16.6 -35.5 9.2 40 40 A E H > S+ 0 0 159 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.907 106.6 45.7 -61.4 -44.2 -17.0 -38.9 10.8 41 41 A K H > S+ 0 0 97 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.893 112.7 51.1 -65.7 -40.0 -14.9 -38.0 13.8 42 42 A A H X S+ 0 0 0 -4,-1.4 4,-2.0 1,-0.2 -2,-0.2 0.907 109.3 50.1 -64.4 -41.0 -16.8 -34.7 14.1 43 43 A E H X S+ 0 0 94 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.811 107.4 53.8 -70.0 -29.4 -20.1 -36.4 14.0 44 44 A A H X S+ 0 0 54 -4,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.882 108.1 50.3 -68.9 -38.9 -19.1 -38.9 16.7 45 45 A V H X S+ 0 0 2 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.903 105.7 57.1 -64.5 -40.5 -18.1 -36.0 19.0 46 46 A V H X S+ 0 0 8 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.896 106.7 48.7 -54.8 -42.3 -21.5 -34.4 18.3 47 47 A E H X S+ 0 0 120 -4,-1.4 4,-1.5 2,-0.2 -1,-0.2 0.878 109.1 52.5 -68.9 -36.1 -23.2 -37.5 19.6 48 48 A E H X S+ 0 0 69 -4,-1.8 4,-0.5 2,-0.2 -2,-0.2 0.907 111.1 49.0 -61.2 -42.0 -20.9 -37.5 22.7 49 49 A I H ><>S+ 0 0 0 -4,-2.6 3,-1.6 1,-0.2 5,-0.9 0.929 107.8 51.4 -65.5 -47.2 -22.0 -33.9 23.3 50 50 A K H ><5S+ 0 0 91 -4,-2.5 3,-1.8 1,-0.3 -1,-0.2 0.822 100.1 65.4 -60.8 -29.7 -25.7 -34.6 22.9 51 51 A A H 3<5S+ 0 0 88 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.772 92.7 62.6 -62.8 -23.8 -25.3 -37.4 25.5 52 52 A K T <<5S- 0 0 97 -3,-1.6 -1,-0.3 -4,-0.5 -2,-0.2 0.580 124.4-106.2 -74.8 -10.8 -24.5 -34.6 27.9 53 53 A G T < 5S+ 0 0 37 -3,-1.8 2,-0.2 1,-0.4 -3,-0.2 0.560 84.5 104.4 99.1 10.6 -28.0 -33.2 27.4 54 54 A V S - 0 0 74 -2,-0.3 3,-1.9 1,-0.1 7,-0.3 -0.826 23.1-150.5 -82.9 115.8 -11.6 -24.1 6.6 63 63 A V T 3 S+ 0 0 7 -2,-0.7 56,-0.2 1,-0.3 -1,-0.1 0.740 92.8 64.5 -66.5 -20.6 -10.8 -21.4 9.2 64 64 A A T 3 S+ 0 0 17 1,-0.1 2,-0.8 55,-0.1 -1,-0.3 0.689 87.5 83.4 -70.5 -18.2 -8.3 -19.7 6.8 65 65 A D <> - 0 0 59 -3,-1.9 4,-2.4 1,-0.2 3,-0.3 -0.782 66.6-160.6 -95.6 105.5 -11.2 -19.0 4.4 66 66 A A H > S+ 0 0 12 -2,-0.8 4,-2.2 1,-0.2 -1,-0.2 0.852 90.9 50.6 -52.1 -40.7 -13.0 -15.8 5.5 67 67 A D H > S+ 0 0 103 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.870 110.1 47.8 -70.0 -38.5 -16.2 -16.8 3.5 68 68 A E H > S+ 0 0 82 -3,-0.3 4,-2.2 -6,-0.2 -2,-0.2 0.890 112.4 51.1 -67.1 -38.0 -16.5 -20.3 5.0 69 69 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 -7,-0.3 5,-0.2 0.912 108.4 51.1 -65.8 -40.6 -16.0 -18.8 8.4 70 70 A K H X S+ 0 0 87 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.929 111.9 46.7 -62.5 -43.3 -18.7 -16.2 7.8 71 71 A A H X S+ 0 0 60 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.859 110.9 54.1 -65.1 -35.6 -21.1 -19.0 6.7 72 72 A X H X S+ 0 0 1 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.932 109.5 45.7 -63.7 -48.1 -20.1 -21.0 9.7 73 73 A I H X S+ 0 0 8 -4,-2.5 4,-2.7 1,-0.2 5,-0.3 0.902 111.5 52.7 -62.4 -42.8 -20.9 -18.3 12.2 74 74 A K H X S+ 0 0 147 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.898 109.7 49.5 -60.7 -39.2 -24.2 -17.5 10.5 75 75 A E H X S+ 0 0 77 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.884 110.8 49.0 -69.8 -38.3 -25.2 -21.2 10.8 76 76 A V H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 5,-0.5 0.949 113.5 45.5 -64.1 -49.0 -24.3 -21.3 14.5 77 77 A V H X S+ 0 0 30 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.888 114.5 50.7 -62.0 -37.6 -26.2 -18.2 15.3 78 78 A S H < S+ 0 0 89 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.960 115.8 39.3 -64.0 -50.0 -29.1 -19.5 13.2 79 79 A Q H < S+ 0 0 89 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.880 131.3 25.7 -68.6 -40.9 -29.2 -22.9 14.9 80 80 A F H < S- 0 0 17 -4,-2.7 -3,-0.2 -5,-0.2 -1,-0.2 0.644 97.4-125.9-101.1 -22.2 -28.6 -21.8 18.5 81 81 A G S < S+ 0 0 54 -4,-2.0 2,-0.3 -5,-0.5 -4,-0.2 0.339 81.7 29.9 90.7 -8.3 -29.9 -18.3 18.4 82 82 A S - 0 0 18 -6,-0.4 2,-0.3 -75,-0.0 -2,-0.2 -0.977 64.1-132.8-163.8 173.1 -26.6 -16.8 19.7 83 83 A L + 0 0 0 -2,-0.3 -76,-0.2 44,-0.1 48,-0.1 -0.826 33.8 157.3-138.5 98.8 -22.8 -17.2 20.0 84 84 A D + 0 0 13 -78,-2.1 51,-2.2 -2,-0.3 2,-0.4 0.768 65.9 32.2 -97.3 -29.3 -21.7 -16.7 23.5 85 85 A V E -bd 7 135A 1 -79,-1.7 -77,-2.2 49,-0.2 2,-0.5 -0.997 59.3-172.5-134.2 130.7 -18.4 -18.5 23.5 86 86 A L E -bd 8 136A 0 49,-2.5 51,-2.8 -2,-0.4 2,-0.6 -0.987 4.9-168.6-122.6 120.1 -15.9 -18.9 20.6 87 87 A V E -bd 9 137A 0 -79,-2.9 -77,-2.6 -2,-0.5 2,-1.3 -0.934 7.8-158.7-111.6 112.1 -12.9 -21.2 21.1 88 88 A N E + d 0 138A 3 49,-2.3 51,-2.4 -2,-0.6 -79,-0.1 -0.712 39.5 138.6 -90.9 89.0 -10.3 -20.8 18.4 89 89 A N + 0 0 27 -2,-1.3 -1,-0.2 -79,-0.3 -78,-0.2 0.665 26.9 112.9-104.5 -24.0 -8.5 -24.1 18.7 90 90 A A + 0 0 17 -3,-0.3 2,-0.3 26,-0.1 49,-0.1 -0.228 39.0 139.8 -58.6 138.1 -7.9 -25.2 15.1 91 91 A G - 0 0 39 -80,-0.1 2,-0.3 25,-0.0 18,-0.1 -0.935 30.5-155.0-173.2 153.8 -4.2 -25.2 14.2 92 92 A I - 0 0 46 -2,-0.3 2,-0.4 17,-0.2 21,-0.1 -0.854 9.5-139.7-130.5 166.0 -1.7 -27.2 12.2 93 93 A T + 0 0 61 -2,-0.3 2,-0.1 2,-0.0 58,-0.1 -0.952 14.5 179.5-122.6 149.1 2.1 -27.8 12.2 94 94 A R - 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